N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

C13H16ClFN2O2 — CID 66259427

IUPACN-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-8-3-4-11(15)10(14)5-8/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyKDGQGOPBFUDHRK-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.04
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide

N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66259427) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66259427
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H16ClFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-8-3-4-11(15)10(14)5-8/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyKDGQGOPBFUDHRK-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3240236
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CID 2952049
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CID 3241081
CID 3241081
CID 4535574
CID 4535574
CID 168276211
CID 168276211
CID 46744209
CID 46744209
CID 4110392
CID 4110392
CID 4110545
CID 4110545
CID 5002605
CID 5002605
CID 5195231
CID 5195231
CID 46048686
CID 46048686
CID 46744208
CID 46744208

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide (CID 66259427) is N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is KDGQGOPBFUDHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-2-16-12-7-19-6-9(12)13(18)17-8-3-4-11(15)10(14)5-8/h3-5,9,12,16H,2,6-7H2,1H3,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66259427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).